2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-(veratroylamino)butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)O)OC

InChI

InChI=1S/C14H19NO5S/c1-19-11-5-4-9(8-12(11)20-2)13(16)15-10(14(17)18)6-7-21-3/h4-5,8,10H,6-7H2,1-3H3,(H,15,16)(H,17,18)